2-amino-N-(2-bromo-4-chlorophenyl)-4-phenylbutanamide

C16H16BrClN2O — CID 114929090

IUPAC2-amino-N-(2-bromo-4-chlorophenyl)-4-phenylbutanamide
SMILESNC(CCc1ccccc1)C(=O)Nc1ccc(Cl)cc1Br
InChIInChI=1S/C16H16BrClN2O/c17-13-10-12(18)7-9-15(13)20-16(21)14(19)8-6-11-4-2-1-3-5-11/h1-5,7,9-10,14H,6,8,19H2,(H,20,21)
InChIKeyPYLWUWKKNLCHGS-UHFFFAOYSA-N
MW367.67 g/mol
LogP4.00
Rot. Bonds5

About 2-amino-N-(2-bromo-4-chlorophenyl)-4-phenylbutanamide

2-amino-N-(2-bromo-4-chlorophenyl)-4-phenylbutanamide (PubChem CID 114929090) has the molecular formula C16H16BrClN2O and a molecular weight of 367.67 g/mol. Its IUPAC name is 2-amino-N-(2-bromo-4-chlorophenyl)-4-phenylbutanamide.

Molecular Properties

Compound Name2-amino-N-(2-bromo-4-chlorophenyl)-4-phenylbutanamide
PubChem CID114929090
Molecular FormulaC16H16BrClN2O
Molecular Weight367.67 g/mol
Exact Mass366.01
IUPAC Name2-amino-N-(2-bromo-4-chlorophenyl)-4-phenylbutanamide
SMILESNC(CCc1ccccc1)C(=O)Nc1ccc(Cl)cc1Br
InChIInChI=1S/C16H16BrClN2O/c17-13-10-12(18)7-9-15(13)20-16(21)14(19)8-6-11-4-2-1-3-5-11/h1-5,7,9-10,14H,6,8,19H2,(H,20,21)
InChIKeyPYLWUWKKNLCHGS-UHFFFAOYSA-N
XLogP4.00
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.67
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(2-chlorophenyl)-4-phenylbutanamide
CID 114924914
2-amino-N-(2-bromo-5-chlorophenyl)-3-phenylpropanamide
CID 81270389
(2R)-2-amino-N-(2-bromo-4-chlorophenyl)-4-methylpentanamide
CID 104903780
(2S)-2-amino-N-(3,5-dichlorophenyl)-4-phenylbutanamide
CID 104983740
(2S)-2-amino-N-(3-bromo-4-fluorophenyl)-4-phenylbutanamide
CID 104984797
2-amino-N-(2-bromo-4-chlorophenyl)-3-cyclopropylpropanamide
CID 112735394
(2S)-2-amino-N-(2,4-dibromophenyl)-3-phenylpropanamide
CID 61180359
4-amino-5-(2-bromo-5-chloroanilino)-5-oxopentanoic acid
CID 81270730
(2S)-2-amino-N-(5-chloro-2-pyridinyl)-4-phenylbutanamide
CID 104983845
(2S)-2-amino-N-[4-(4-chlorophenoxy)phenyl]-4-phenylbutanamide
CID 67010614
N-(2-bromo-4-chlorophenyl)-2-phenylbutanamide
CID 81272164
(2-bromo-4-chlorophenyl)urea
CID 81003362

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-bromo-4-chlorophenyl)-4-phenylbutanamide?
The IUPAC name of 2-amino-N-(2-bromo-4-chlorophenyl)-4-phenylbutanamide (CID 114929090) is 2-amino-N-(2-bromo-4-chlorophenyl)-4-phenylbutanamide.
What is the SMILES notation for 2-amino-N-(2-bromo-4-chlorophenyl)-4-phenylbutanamide?
The canonical SMILES for 2-amino-N-(2-bromo-4-chlorophenyl)-4-phenylbutanamide is NC(CCc1ccccc1)C(=O)Nc1ccc(Cl)cc1Br.
What is the InChIKey of 2-amino-N-(2-bromo-4-chlorophenyl)-4-phenylbutanamide?
The InChIKey is PYLWUWKKNLCHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN2O/c17-13-10-12(18)7-9-15(13)20-16(21)14(19)8-6-11-4-2-1-3-5-11/h1-5,7,9-10,14H,6,8,19H2,(H,20,21).
What are the key properties of 2-amino-N-(2-bromo-4-chlorophenyl)-4-phenylbutanamide?
2-amino-N-(2-bromo-4-chlorophenyl)-4-phenylbutanamide has a molecular weight of 367.67 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-bromo-4-chlorophenyl)-4-phenylbutanamide is sourced from PubChem (CID 114929090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).